/disk2/worker/repository/td/CohesiveEnergyVsLatticeConstant__TD_554653289799_002/runner Sim_LAMMPS_AGNI_BotuBatraChapman_2017_Al__SM_666183636896_000 Al 26.981538 bcc 2.25e-10 0.8 1.5 18 23 8 20